1-(2-cyanoethyl)-3-(5-thiophen-3-ylpyridin-3-yl)indole-4-carboxylic acid

Systemtic Name: 1-(2-cyanoethyl)-3-(5-thiophen-3-ylpyridin-3-yl)indole-4-carboxylic acid Openeye Name: 1-(2-cyanoethyl)-3-[5-(3-thienyl)-3-pyridyl]indole-4-carboxylic acid CAS Name: 1-(2-cyanoethyl)-3-[5-(3-thiophenyl)-3-pyridinyl]-4-indolecarboxylic acid IUPAC Name: 1-(2-cyanoethyl)-3-(5-thiophen-3-ylpyridin-3-yl)indole-4-carboxylic acid Traditional Name: 1-(2-cyanoethyl)-3-[5-(3-thienyl)-3-pyridyl]indole-4-carboxylic acid Formula: C21H15N3O2S MolecularWeight: 373.4277

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)N(C=C2C3=CN=CC(=C3)C4=CSC=C4)CCC#N)C(=O)O

Isomeric SMILES

C1=CC(=C2C(=C1)N(C=C2C3=CN=CC(=C3)C4=CSC=C4)CCC#N)C(=O)O

InChI

InChI=1S/C21H15N3O2S/c22-6-2-7-24-12-18(20-17(21(25)26)3-1-4-19(20)24)16-9-15(10-23-11-16)14-5-8-27-13-14/h1,3-5,8-13H,2,7H2,(H,25,26)